# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 99.72 7.55 12.20 21.06 118.20 -152.28 -94.00 136.55 99.92 0.07 0.01 99.81 0.13 0.02 0.00 0.00 0.00 0.03 0.01 1 P C C 92.49 3.97 11.51 17.28 113.55 -109.65 -67.85 147.90 91.85 1.50 6.64 89.25 0.76 3.18 3.77 1.55 0.00 0.77 0.73 2 R C C 158.57 4.16 9.67 15.79 111.66 -122.68 -84.71 131.73 81.42 6.01 12.57 63.53 10.13 7.15 6.74 6.08 0.00 3.39 2.97 3 S C C 64.42 5.14 11.28 18.05 117.76 -140.62 -99.79 147.01 71.13 9.10 19.77 57.19 7.95 5.53 8.24 11.81 0.00 5.57 3.71 4 L C G 99.35 8.07 10.53 19.58 100.54 -126.14 -79.97 -11.04 54.57 6.74 38.69 26.19 13.52 17.31 9.44 27.24 0.06 4.29 1.95 5 K C C 138.13 3.92 13.19 18.61 104.85 74.28 -85.01 25.03 57.20 8.14 34.66 24.88 13.48 21.46 8.35 24.18 0.13 5.17 2.35 6 K C C 134.17 4.35 13.35 19.31 110.10 71.45 -91.07 114.92 67.45 7.34 25.22 31.88 21.74 15.65 7.03 16.46 0.11 3.85 3.28 7 G C C 29.74 9.10 12.63 22.79 131.63 71.96 162.43 176.19 93.80 4.10 2.10 53.52 32.68 7.64 0.44 1.75 0.00 2.16 1.82 8 P C S 84.62 6.36 15.94 23.13 100.89 -46.64 -71.56 2.90 94.44 3.49 2.07 31.39 35.20 28.19 0.28 1.88 0.00 2.21 0.85 9 F C C 95.13 10.94 15.97 27.17 108.55 58.59 -93.49 85.59 75.63 21.41 2.95 40.27 18.55 18.23 0.86 2.30 0.03 13.51 6.25 10 V C C 42.26 16.70 12.88 29.23 119.12 123.95 -104.83 130.53 79.87 19.35 0.77 68.62 9.65 0.66 0.52 0.32 0.00 10.64 9.60 11 D C C 58.40 9.58 15.56 26.25 111.74 -129.93 -80.71 129.07 97.84 1.55 0.61 96.76 1.28 0.23 0.44 0.07 0.00 0.79 0.43 12 E H H 131.32 3.51 15.87 20.92 93.18 -138.56 -63.59 -33.92 4.66 0.01 95.32 0.95 0.52 2.95 94.61 0.96 0.00 0.00 0.00 13 H H H 111.19 2.91 18.35 21.21 91.97 54.48 -65.09 -40.25 2.79 0.01 97.20 0.40 0.21 2.02 96.20 1.15 0.00 0.01 0.00 14 L H H 20.12 15.93 14.75 31.43 92.31 49.56 -65.73 -41.69 0.97 0.01 99.02 0.23 0.08 0.58 97.98 1.12 0.00 0.01 0.00 15 A H H 24.66 13.32 15.93 30.18 91.73 52.70 -62.83 -41.99 0.50 0.00 99.50 0.12 0.04 0.27 99.30 0.27 0.00 0.00 0.00 16 K H H 125.28 1.73 22.45 22.45 91.82 50.34 -64.60 -41.13 0.60 0.00 99.40 0.10 0.05 0.39 99.32 0.15 0.00 0.00 0.00 17 K H H 94.68 5.98 20.83 27.19 92.04 49.42 -64.94 -41.58 0.66 0.01 99.34 0.11 0.06 0.43 99.28 0.11 0.00 0.00 0.00 18 V H H 13.13 18.57 15.03 34.07 91.89 49.59 -64.31 -42.86 0.43 0.00 99.57 0.09 0.03 0.24 99.56 0.07 0.00 0.00 0.00 19 T H H 65.35 5.17 20.43 26.10 91.63 50.39 -63.66 -41.39 0.58 0.00 99.41 0.13 0.04 0.32 99.41 0.09 0.00 0.00 0.00 20 A H H 52.52 2.26 19.26 20.82 91.72 50.65 -63.97 -41.96 0.94 0.01 99.05 0.16 0.07 0.60 98.99 0.18 0.00 0.00 0.00 21 Q H H 46.20 9.04 13.77 24.74 92.02 50.70 -65.29 -40.54 1.43 0.01 98.56 0.29 0.13 0.86 98.42 0.28 0.00 0.01 0.00 22 N H H 74.52 9.05 12.66 22.69 92.54 51.77 -64.92 -39.52 3.18 0.02 96.80 0.63 0.25 2.06 96.50 0.54 0.00 0.01 0.01 23 E H H 153.98 0.90 14.59 14.62 91.52 51.85 -67.49 -28.67 9.53 0.05 90.43 0.63 0.59 7.94 90.11 0.67 0.02 0.02 0.02 24 A C T 78.33 1.97 12.48 14.93 93.53 53.68 -84.52 -4.87 58.73 0.11 41.16 1.38 3.05 52.31 41.88 1.24 0.02 0.03 0.08 25 G C T 58.28 1.62 13.40 15.63 97.16 -108.24 81.23 10.97 99.06 0.07 0.87 7.89 6.34 85.02 0.44 0.24 0.00 0.04 0.03 26 T C C 67.73 6.69 10.87 19.30 112.79 132.77 -94.44 121.07 97.76 0.97 1.27 82.33 11.83 3.42 0.36 0.98 0.00 0.48 0.61 27 H C C 123.10 6.54 14.49 22.43 105.34 -166.26 -99.55 36.51 97.71 1.21 1.09 68.93 22.77 5.87 0.17 1.13 0.00 0.76 0.37 28 N C C 84.12 7.72 18.17 26.64 106.76 112.75 -87.90 73.84 94.32 5.07 0.61 57.76 32.90 3.67 0.06 0.69 0.00 4.44 0.48 29 V C C 44.97 14.60 17.29 32.07 119.18 136.11 -101.10 133.29 58.53 41.31 0.17 51.13 6.02 0.40 0.03 0.13 0.00 41.25 1.04 30 I E E 26.77 19.41 16.78 36.41 117.93 -146.21 -103.36 129.24 11.99 87.98 0.03 11.71 0.36 0.03 0.02 0.01 0.00 85.77 2.10 31 K E E 100.50 8.92 23.35 32.70 117.01 -146.11 -95.95 133.19 13.50 86.48 0.03 13.11 0.41 0.03 0.01 0.01 0.00 85.53 0.90 32 T E E 26.85 20.30 14.19 33.81 124.71 -168.44 -118.69 143.02 49.01 50.74 0.25 44.74 2.78 0.42 0.07 0.18 0.00 50.40 1.43 33 W C C 125.98 8.07 20.37 29.08 102.68 -163.86 -97.37 -10.39 79.44 19.58 0.98 38.07 36.05 6.07 0.16 0.89 0.00 17.29 1.47 34 S C C 36.19 12.32 16.94 29.86 124.61 49.05 -120.16 139.83 88.44 9.13 2.43 49.07 30.50 9.26 0.44 2.21 0.00 6.84 1.69 35 R C C 125.32 11.36 16.65 28.11 101.33 -162.08 -90.75 -12.74 77.95 5.79 16.26 29.79 28.06 21.48 1.88 13.65 0.01 3.80 1.34 36 R C S 142.90 4.98 21.07 26.54 100.10 61.29 -90.42 4.44 75.89 6.69 17.43 25.16 30.73 21.47 1.54 15.11 0.01 4.78 1.20 37 S C C 21.98 18.31 15.02 33.04 120.76 98.97 -98.34 147.11 65.06 16.64 18.30 43.57 14.75 7.27 1.53 16.50 0.00 15.28 1.09 38 M E E 76.66 10.08 24.29 34.65 121.59 -142.60 -110.28 135.05 32.33 65.34 2.32 26.97 4.15 1.30 0.88 1.64 0.01 58.37 6.67 39 V E E 16.59 23.16 16.21 39.34 117.01 -150.97 -100.85 126.96 24.26 75.63 0.11 22.88 1.23 0.07 0.09 0.05 0.00 54.18 21.51 40 T C C 34.57 11.20 21.04 33.06 116.92 -148.87 -92.51 136.90 98.86 1.13 0.01 98.71 0.45 0.02 0.00 0.00 0.00 0.75 0.07 41 P H G 67.66 11.19 16.65 28.64 90.81 -121.18 -58.86 -30.33 12.95 0.13 86.92 0.93 0.99 9.34 1.12 87.52 0.00 0.10 0.01 42 D H G 97.36 4.18 21.15 26.36 89.39 65.23 -67.57 -15.86 12.67 0.09 87.24 0.30 0.63 10.66 0.91 87.43 0.00 0.07 0.01 43 M H G 11.63 22.04 14.43 37.12 93.72 57.71 -91.86 -8.05 11.85 0.13 88.02 1.08 1.03 7.67 0.89 89.24 0.00 0.08 0.01 44 I C T 58.76 15.23 15.49 31.11 112.47 115.30 -61.80 132.14 97.92 0.71 1.37 0.44 1.10 97.09 0.20 0.54 0.00 0.23 0.41 45 G C T 44.85 4.11 21.95 26.90 94.30 21.88 85.78 -4.11 99.63 0.14 0.23 0.20 1.42 98.15 0.01 0.13 0.00 0.09 0.01 46 H C C 46.24 15.74 16.78 32.79 123.85 122.60 -87.92 152.84 96.09 3.87 0.03 86.30 9.44 0.16 0.00 0.03 0.00 3.90 0.15 47 T E E 46.14 10.94 24.38 35.93 117.66 -129.53 -103.01 130.54 1.64 98.36 0.00 1.65 0.05 0.00 0.00 0.00 0.00 98.06 0.24 48 I E E 4.78 24.96 18.69 44.19 125.95 -171.15 -122.36 140.18 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.01 49 G E E 8.12 14.61 25.59 40.96 120.50 -144.11 -102.07 138.71 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 50 V E E 7.50 22.15 20.10 42.48 122.12 -163.16 -118.23 131.84 0.63 99.37 0.00 0.55 0.03 0.00 0.00 0.00 0.00 99.39 0.02 51 H E E 39.42 13.53 19.09 33.62 116.58 -155.87 -106.85 124.74 10.65 89.27 0.09 8.56 1.52 0.28 0.01 0.06 0.00 89.26 0.30 52 D C E 58.40 9.26 17.70 28.32 100.96 175.84 -107.39 27.69 51.23 47.62 1.15 28.55 14.08 9.44 0.11 1.18 0.00 45.76 0.87 53 G C T 40.64 7.68 15.00 23.33 99.00 -89.48 77.11 -5.40 98.24 0.56 1.20 2.58 37.52 58.04 0.04 1.34 0.00 0.36 0.12 54 R C T 174.71 1.57 15.83 17.39 103.95 45.54 -99.42 -28.65 98.24 0.86 0.90 2.87 44.97 50.46 0.03 0.94 0.00 0.58 0.14 55 K E E 132.76 2.10 17.47 19.75 126.11 31.58 -123.38 147.29 35.74 64.11 0.15 24.31 11.36 1.04 0.02 0.15 0.00 62.17 0.94 56 H E E 85.07 15.48 11.68 26.56 119.41 -130.56 -98.69 133.73 12.63 87.35 0.01 11.64 0.57 0.04 0.00 0.01 0.00 87.34 0.40 57 V E E 47.22 9.96 18.78 30.27 120.48 -167.82 -122.15 126.15 3.63 96.37 0.00 3.24 0.13 0.00 0.00 0.00 0.00 96.58 0.04 58 P E E 70.92 9.35 20.62 30.41 114.86 -120.53 -69.77 140.26 2.23 97.77 0.00 2.09 0.04 0.00 0.00 0.00 0.00 97.86 0.02 59 V E E 13.00 21.73 15.83 37.51 126.86 -173.62 -127.30 139.66 0.80 99.20 0.00 0.80 0.01 0.00 0.00 0.00 0.00 99.17 0.02 60 F E E 90.04 7.79 25.86 34.20 115.87 -134.59 -93.91 130.62 1.63 98.37 0.00 1.63 0.03 0.00 0.00 0.00 0.00 98.24 0.10 61 V E E 6.58 25.14 13.26 39.13 114.12 -144.56 -94.97 126.13 27.08 72.90 0.02 27.05 0.35 0.01 0.01 0.01 0.00 71.91 0.65 62 T C C 46.81 6.34 22.93 29.54 133.52 171.51 -130.30 169.47 92.60 7.30 0.11 90.37 2.59 0.10 0.03 0.05 0.00 6.39 0.46 63 E H G 123.29 7.57 15.47 24.49 90.52 -98.55 -60.07 -31.82 11.51 0.09 88.40 0.52 1.04 8.83 1.45 88.08 0.00 0.06 0.01 64 S H G 83.85 2.03 19.62 21.68 90.15 62.47 -68.87 -19.74 10.46 0.05 89.49 0.29 0.59 8.64 1.35 89.10 0.00 0.04 0.00 65 M H G 21.81 19.26 12.87 32.44 95.59 51.44 -96.00 -6.90 11.23 0.12 88.65 0.94 1.08 7.88 1.57 88.44 0.00 0.08 0.01 66 V C T 53.03 15.73 13.60 29.50 112.47 114.28 -63.43 133.79 94.45 2.48 3.07 2.68 3.28 89.18 1.02 1.37 0.00 1.13 1.33 67 G C T 47.94 4.09 20.60 25.58 94.34 21.09 84.43 -4.29 98.12 0.42 1.46 1.91 4.16 92.25 0.31 0.98 0.00 0.28 0.11 68 H C C 69.21 12.15 16.16 28.90 123.25 122.05 -89.24 152.43 94.04 3.10 2.86 77.45 14.17 2.13 1.50 1.30 0.00 1.29 2.16 69 K C C 98.57 7.87 21.84 30.01 115.58 -108.48 -79.37 141.83 53.01 35.65 11.34 35.94 8.25 5.30 6.19 4.50 0.05 7.49 32.28 70 L H G 32.00 21.29 14.39 34.77 101.96 -106.87 -64.48 72.61 37.01 2.93 60.05 8.26 7.34 22.04 11.33 47.73 0.21 1.79 1.30 71 G H G 30.71 12.20 18.64 30.39 96.57 39.63 70.97 -9.72 29.97 1.28 68.75 5.74 4.68 19.43 12.15 56.64 0.06 0.73 0.58 72 E H G 108.77 5.93 19.80 26.45 93.57 87.10 -75.02 -20.92 31.94 1.59 66.47 6.72 6.67 18.82 11.91 54.12 0.10 0.94 0.73 73 F C G 82.48 12.73 15.55 28.34 100.28 42.39 -99.36 -6.56 55.00 5.63 39.37 14.14 16.34 25.65 11.59 25.78 0.45 2.64 3.41 74 A C S 31.29 15.11 12.67 27.89 123.98 78.20 -104.75 142.95 93.84 4.27 1.89 42.02 50.15 2.03 0.99 0.79 0.00 2.03 1.99 75 P C C 76.64 6.51 15.77 23.36 111.17 -106.41 -67.19 146.29 91.85 3.97 4.18 73.67 11.83 6.23 1.50 2.71 0.00 2.35 1.72 76 T C C 83.36 8.33 12.15 21.59 112.46 -142.26 -95.28 124.50 85.85 8.61 5.54 65.63 12.80 6.80 2.11 3.52 0.00 4.89 4.25 77 R C C 137.70 5.94 12.92 20.46 118.49 -164.03 -106.63 138.30 82.33 12.03 5.64 60.15 17.06 4.67 2.97 2.85 0.01 7.62 4.68 78 T C C 90.39 4.70 12.88 19.23 115.95 -143.97 -101.31 130.63 82.13 12.31 5.55 64.80 12.81 4.07 3.22 2.50 0.00 9.05 3.54 79 F C C 106.99 9.02 9.70 19.77 113.74 -146.65 -94.02 127.57 78.67 11.54 9.79 63.06 9.85 4.81 7.04 3.14 0.00 7.62 4.47 80 K C C 145.24 2.78 12.39 16.52 108.94 -157.91 -94.89 103.39 70.59 6.44 22.96 40.10 13.88 16.92 16.20 6.71 0.04 3.92 2.24 81 G C C 46.74 3.74 13.06 17.83 110.16 18.38 89.42 -89.29 66.91 3.41 29.69 27.51 19.15 21.18 20.43 8.44 0.08 1.79 1.42 82 H C C 103.51 6.43 11.06 18.87 109.70 20.58 -91.52 109.33 58.49 4.09 37.42 34.80 13.54 10.81 28.55 8.44 0.05 2.21 1.60 83 V C H 71.54 6.78 11.23 19.39 112.26 51.14 -87.87 132.83 50.36 3.40 46.24 33.30 10.22 7.73 39.15 6.50 0.03 1.88 1.19 84 K H H 128.46 3.24 13.09 17.26 97.56 -116.09 -68.42 -35.68 44.40 1.79 53.81 28.86 8.48 8.16 46.02 6.84 0.02 0.97 0.64 85 D H H 89.53 3.39 12.73 17.08 98.19 52.48 -74.91 -27.86 40.90 1.16 57.94 23.55 8.30 10.34 49.30 7.42 0.02 0.61 0.45 86 D H H 76.04 5.52 11.34 18.39 97.70 57.42 -72.36 -30.63 41.92 0.98 57.09 24.12 8.19 10.79 49.32 6.66 0.02 0.50 0.41 87 K H H 114.82 4.03 11.72 17.19 95.94 63.60 -69.69 -34.15 40.24 1.25 58.51 24.35 7.79 9.63 50.96 6.10 0.02 0.62 0.52 88 K H H 125.22 2.63 11.94 15.61 96.53 60.81 -70.45 -33.19 41.13 1.62 57.25 23.77 8.01 10.90 48.84 6.94 0.03 0.84 0.67 89 A H H 63.11 4.10 9.55 15.33 97.57 62.40 -73.06 -26.50 48.63 1.70 49.67 24.42 10.24 15.14 40.53 8.05 0.04 0.91 0.68 90 R C C 156.92 2.68 9.25 13.40 100.35 65.20 -79.41 -10.03 58.47 3.29 38.24 32.00 11.94 15.45 29.92 7.54 0.04 1.75 1.36 91 R C C 164.62 2.25 8.71 12.53 105.27 81.20 -83.39 67.26 75.32 2.88 21.79 59.86 2.94 12.17 18.61 3.41 0.00 1.50 1.50 92 R C C 166.61 2.52 10.76 14.81 107.54 -124.66 -84.45 96.51 99.81 0.07 0.11 99.51 0.15 0.21 0.07 0.01 0.00 0.04 0.01